5D1D

Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Histone deacetylase 8	polymer	389	43232.0	2	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (Human)	HD8
2	C, D (C, D)	HDAC8 Fluor de Lys tetrapeptide substrate	polymer	6	837.0	2		unidentified
3	E, H (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G, I, J (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	K, L, M, N (A, B, C, D)	water	water		18.0	272	Chemie (HOH)

Sequence modifications

A, B: 1 - 377 (UniProt: Q9BY41)

PDB	External Database	Details
Leu 91	Pro 91	engineered mutation
Phe 306	Tyr 306	engineered mutation
Ile 378	-	expression tag
Glu 379	-	expression tag
Gly 380	-	expression tag
Arg 381	-	expression tag
Gly 382	-	expression tag
Ser 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	88138.0
Non-Polymers*	Number of molecules	6
	Total formula weight	287.2
All*	Total formula weight	88425.2

*Water molecules are not included.